Fundamentals of Vibronic Spectroscopy
Copyright © 2008 by John A. Shelnutt.
All rights reserved.
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John A. Shelnutt
Part A.
Chapter
1: Introduction and Background
1.1 Quantum Mechanics
1.2 Background
1.3 Postulate I of Quantum Theory
1.4 Vector Spaces
1.5 Hilbert Space
1.6 Function Space
1.7 Postulate II of Quantum Theory
1.8 Linear Operators
1.9 Eigenvalues and Eigenvectors
1.10 Postulate IV of Quantum Theory
1.11 Postulate V of Quantum Theory
1.12 Compatible observables
1.13 Heisenberg Uncertainty Principle
1.14 Alternative Postulates of Quantum Theory
1.15 Postulate III of Quantum Theory
1.16 Time Evolution Operator
1.17 Constants of Motion
1.18 Hamiltonian of a Molecule
Chapter 2: Interaction Hamiltonian for a Radiation Field with a Molecule
2.1 Classical Mechanics
2.2 Reformulations of Classical Equations of
Motion
2.3 Energy Formulation of the Equation of
Motion
2.4 Lagrange’s Equations of Motion
2.5 Hamilton’s Equations of Motion and the
Hamiltonian
2.6 Electrodynamics and Maxwell’s Equations
2.7 Classical Hamiltonian of a Charged Particle
Interacting with an Electromagnetic Field
2.8 The Quantum Mechanical Hamiltonian Operator
for a Charged Particle in a Field
2.9 The Hamiltonian of a Molecule in an
Electromagnetic Field
2.10 Gauge Invariance and the Electromagnetic
Wave Equations
2.11 The Hamiltonian of the Free Electromagnetic
Field
2.12 Quantum Harmonic Oscillators and the Electromagnetic Field
2.13 The Hamiltonian of a Molecule in an Electromagnetic Field
Chapter 3: Perturbative Treatment of the Interaction Hamiltonian
3.1 Perturbation Theory and Time Evolution of the
System
3.2 Transition Probabilities
3.3 Evaluation of the Matrix Elements of the
Interaction
3.4 The Long Wavelength Approximation
3.5 The Dipole Approximation
3.6 Absorption Spectroscopy
3.7 Fermi’s Golden Rule
3.8 Two-Photon Absorption Spectroscopy
3.9 Spontaneous Raman Spectroscopy
3.10 Resonance Fluorescence
3.11 The Raman Scattering Tensor
Chapter 4: The Molecular Energy Eigenstates
4.1 The Born-Oppenheimer approximation
4.2 Adiabatic Born-Oppenheimer Approximation
4.3 The Crude Born-Oppenheimer Approximation
4.4 The Electronic States
4.5 Vibrational States (Harmonic Oscillator)
4.6 Vibronic Coupling and the Approximate Vibronic States
Chapter 5: Vibronic Spectroscopy
5.1 UV-Visible Absorption Spectra with Vibrational Structure
5.2 Intensity Borrowing in Absorption Spectra
5.3 Infrared Absorption Spectra
5.4 Vibrational Raman Scattering Tensor
5.5 Rayleigh Scattering
5.6 Stokes Raman Scattering
5.7 Interference Effects and Intensity Borrowing in Resonance Raman Spectra
5.8 Anti-Stokes Raman Scattering
5.9 Overtones and Combination Line Raman Intensities
5.10 Non-resonance Raman Scattering (incomplete)
5.11 Multi-mode Phenomena
(incomplete)
Part B.
Chapter 6: Solutions for the Radiation Field
6.1 Plane Waves
6.2 Wave Packets
Chapter 7: Dissipative Phenomena and Line Widths
Chapter 8: Transformations and Averaging in the Laboratory Frame
And more...